SCHEMBL5873025

SCHEMBL5873025

Cc1c(Cl)ccc2c(-c3nc(C(=O)N4CCN(c5ccncc5)CC4)c(-c4cccnc4)s3)n[nH]c12

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 4/20 0.43
KMT2A Q03164 3/20 0.43
HTT P42858 3/20 0.43
MEN1 O00255 2/20 0.43
CYP17A1 P05093 2/20 0.37
CYP21A2 P08686 2/20 0.37
CYP11B1 P15538 2/20 0.37
PIM1 P11309 1/20 0.37
MAPT P10636 4/20 0.36
NPSR1 Q6W5P4 2/20 0.36
GAA P10253 1/20 0.36
PKM P14618 1/20 0.36
LMNA P02545 2/20 0.36
NPC1 O15118 1/20 0.35
TACR3 P29371 1/20 0.35
IRAK4 Q9NWZ3 1/20 0.35
AKR1C3 P42330 1/20 0.35
PARP1 P09874 1/20 0.34
HCRTR1 O43613 1/20 0.34
HCRTR2 O43614 1/20 0.34

Click a target to see other patent compounds predicted against it — the reverse direction, in place.

Similar compounds — the chemically nearest patent molecules

Nearest neighbours by Morgan-fingerprint cosine across the patent-compound collection, with each neighbour's top predicted target and the predicted targets it shares with this molecule.

Compoundsimilaritytop predictedshared targets
SCHEMBL5872792 0.91 TSHR (0.41) ALDH1A1KMT2AHTTMEN1PIM1
SCHEMBL5770403 0.91 PIM1 (0.42) ALDH1A1KMT2AHTTMEN1PIM1
SCHEMBL5873145 0.90 TACR3 (0.40) ALDH1A1KMT2AMEN1LMNATACR3
SCHEMBL5774021 0.90 NPC1 (0.44) ALDH1A1KMT2AHTTMEN1CYP17A1
SCHEMBL5873165 0.89 SLC6A7 (0.41) ALDH1A1KMT2AHTTMEN1PIM1
SCHEMBL5872958 0.89 MKNK1 (0.43) ALDH1A1KMT2AHTTMEN1PIM1
SCHEMBL5873045 0.89 ALDH1A1 (0.41) ALDH1A1KMT2AHTTMEN1MAPT
SCHEMBL5872913 0.88 DYRK1A (0.40) ALDH1A1KMT2AHTTMEN1PIM1
SCHEMBL5873054 0.88 PIM1 (0.40) ALDH1A1KMT2AHTTMEN1PIM1
SCHEMBL5872965 0.87 KMT2A (0.43) ALDH1A1KMT2AHTTMEN1CYP17A1

Similarity is cosine over the 2,048-bit Morgan fingerprint (≈ Tanimoto). Identical fingerprints score 1.00.

Patent provenance — the patents this molecule appears in, and who filed them

Claimed or disclosed in 3 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-6984652-B2 Gyrase inhibitors WARNER-LAMBERT COMPANY LLC (US) 2006-01-10 US disclosed
US-20050250823-A1 Gyrase inhibitors YAGER KRAIG 2005-11-10 US disclosed
US-20050054697-A1 Gyrase inhibitors PFIZER INC. 2005-03-10 US disclosed

Patent text — is the patent's own abstract consistent with the prediction?

For each of this compound's patents that has machine-readable text (2 of them — usually the abstract, not the full specification), we ask MedCPT which protein the text reads most about, and where the chemistry-predicted target lands among 4885 human targets. A high rank means the patent's own wording is consistent with the prediction — a weak, independent signal, not proof of activity.

PatentTitleText reads most aboutPredicted target · text-rank
US-20050054697-A1 Gyrase inhibitors TOP1, TOP2A, TOP2B ALDH1A1 2272/4885KMT2A 3223/4885HTT 4301/4885
US-20050250823-A1 Gyrase inhibitors TOP1, TOP2A, TOP2B ALDH1A1 2272/4885KMT2A 3223/4885HTT 4301/4885

“Text reads most about” is the patent abstract's nearest protein in MedCPT space (background-debiased). Only ~1.4% of patents have machine-readable text, so most compounds won't have this panel.